# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e1a9c3b8-5ec7-4b76-828e-1ca8a2972c0e/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for La4Au2O9 / Pbcn (60) / materials id 9160](https://mdr.nims.go.jp/datasets/bcf650ff-d7f6-4e21-b849-7d9a405fb6c6) ## Fulltext elements: [O, La, Au]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 138.9, 197.0]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [1.493618339049702e+01, 2.024882678007121e+00, 3.260605547020220e-01, 1.101783259363966e+04, 1.788575407449002e+01, 2.247381741146255e+02, 2.014706384464578e+02, 1.832197000416655e+04, 2.799800131250319e+03, 3.393338497183083e+02, -5.781727017059858e+02, 5.098699053232068e+06, 4.687137691870021e+05, 1.260031196409832e+01, 1.181767002676144e+05, 4.680726979586621e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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